LMST04010396
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.5228    7.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7476    6.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7476    5.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5228    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2981    5.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0733    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8487    5.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8487    6.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0733    7.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2981    6.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0733    7.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8487    8.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6238    7.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6238    7.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1744    7.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1744    7.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    8.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6238    8.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2981    7.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    9.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6701    9.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0193    9.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6395    9.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2597    9.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.3751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8487    9.0502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2597   10.0779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8798    9.0969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8487    7.3513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0564    6.2851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6238    6.3434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9012    8.6706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    9.8605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
  3 25  2  0  0  0  0
 12 26  2  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
  8 29  1  1  0  0  0
  9 30  1  6  0  0  0
 14 31  1  6  0  0  0
 17 32  1  6  0  0  0
 20 33  1  1  0  0  0
M  END
> <LM_ID>
LMST04010396

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3,12-Dioxochola-4,6-dien-24-oic Acid

> <FORMULA>
C24H32O4

> <MASS>
384.23

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C24 bile acids, alcohols, and derivatives [ST0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OBYHHNYIYZTXCE-ZITKWAPYSA-N

> <INCHI>
InChI=1S/C24H32O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h5-6,12,14,17-20H,4,7-11,13H2,1-3H3,(H,27,28)/t14-,17+,18-,19+,20+,23+,24-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC(=O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)=O)CC[C@@]4([H])[C@]3([H])C=CC2=CC(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 24:5;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284140

> <LIPIDBANK_ID>
BBA0680

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$